N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C3=CC(=CC=C3)OC)C4=NC=CN4C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C3=CC(=CC=C3)OC)C4=NC=CN4C

InChI

InChI=1S/C22H25N3O2S/c1-14-7-8-18-16(11-14)13-19(28-18)22(26)24-20(21-23-9-10-25(21)2)15-5-4-6-17(12-15)27-3/h4-6,9-10,12-14,20H,7-8,11H2,1-3H3,(H,24,26)